1-[(2R)-2-(diethylamino)-2-phenylethyl]-3-(2-phenylethyl)thiourea

C21H29N3S — CID 8696752

IUPAC1-[(2R)-2-(diethylamino)-2-phenylethyl]-3-(2-phenylethyl)thiourea
SMILESCCN(CC)[C@@H](CNC(=S)NCCc1ccccc1)c1ccccc1
InChIInChI=1S/C21H29N3S/c1-3-24(4-2)20(19-13-9-6-10-14-19)17-23-21(25)22-16-15-18-11-7-5-8-12-18/h5-14,20H,3-4,15-17H2,1-2H3,(H2,22,23,25)/t20-/m0/s1
InChIKeyWPIALFAVEHQENT-FQEVSTJZSA-N
MW355.55 g/mol
LogP3.78
Rot. Bonds9

About 1-[(2R)-2-(diethylamino)-2-phenylethyl]-3-(2-phenylethyl)thiourea

1-[(2R)-2-(diethylamino)-2-phenylethyl]-3-(2-phenylethyl)thiourea (PubChem CID 8696752) has the molecular formula C21H29N3S and a molecular weight of 355.55 g/mol. Its IUPAC name is 1-[(2R)-2-(diethylamino)-2-phenylethyl]-3-(2-phenylethyl)thiourea.

Molecular Properties

Compound Name1-[(2R)-2-(diethylamino)-2-phenylethyl]-3-(2-phenylethyl)thiourea
PubChem CID8696752
Molecular FormulaC21H29N3S
Molecular Weight355.55 g/mol
Exact Mass355.21
IUPAC Name1-[(2R)-2-(diethylamino)-2-phenylethyl]-3-(2-phenylethyl)thiourea
SMILESCCN(CC)[C@@H](CNC(=S)NCCc1ccccc1)c1ccccc1
InChIInChI=1S/C21H29N3S/c1-3-24(4-2)20(19-13-9-6-10-14-19)17-23-21(25)22-16-15-18-11-7-5-8-12-18/h5-14,20H,3-4,15-17H2,1-2H3,(H2,22,23,25)/t20-/m0/s1
InChIKeyWPIALFAVEHQENT-FQEVSTJZSA-N
XLogP3.78
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.55
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(2-phenylethyl)thiourea
CID 8771362
1-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-(2-phenylethyl)thiourea
CID 18275293
1-[(2R)-2-(diethylamino)-2-phenylethyl]-3-(4-methoxyphenyl)thiourea
CID 8656989
3-[2-(diethylamino)-2-phenylethyl]-1-ethyl-1-methylurea
CID 115603913
1-(2-hydroxyethyl)-3-(2-phenylethyl)thiourea
CID 2166227
2-[[2-(diethylamino)-2-phenylethyl]amino]-2-oxoacetic acid
CID 43444924
1-[2-(diethylamino)-2-phenylethyl]-3-(1-hydroxy-3-phenylpropan-2-yl)urea
CID 112831938
1-(3-hydroxypropyl)-3-(2-phenylethyl)thiourea
CID 2171228
1-(2-phenylethyl)-3-[2-(2-sulfanylphenyl)ethyl]thiourea
CID 140842952
1-(2-methylbutan-2-yl)-3-(2-phenylethyl)thiourea
CID 19652822
1-[2-(diethylamino)-2-phenylethyl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 110622015
2-amino-N-[2-(diethylamino)-2-phenylethyl]-2-phenylacetamide
CID 119399166

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(diethylamino)-2-phenylethyl]-3-(2-phenylethyl)thiourea?
The IUPAC name of 1-[(2R)-2-(diethylamino)-2-phenylethyl]-3-(2-phenylethyl)thiourea (CID 8696752) is 1-[(2R)-2-(diethylamino)-2-phenylethyl]-3-(2-phenylethyl)thiourea.
What is the SMILES notation for 1-[(2R)-2-(diethylamino)-2-phenylethyl]-3-(2-phenylethyl)thiourea?
The canonical SMILES for 1-[(2R)-2-(diethylamino)-2-phenylethyl]-3-(2-phenylethyl)thiourea is CCN(CC)[C@@H](CNC(=S)NCCc1ccccc1)c1ccccc1.
What is the InChIKey of 1-[(2R)-2-(diethylamino)-2-phenylethyl]-3-(2-phenylethyl)thiourea?
The InChIKey is WPIALFAVEHQENT-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H29N3S/c1-3-24(4-2)20(19-13-9-6-10-14-19)17-23-21(25)22-16-15-18-11-7-5-8-12-18/h5-14,20H,3-4,15-17H2,1-2H3,(H2,22,23,25)/t20-/m0/s1.
What are the key properties of 1-[(2R)-2-(diethylamino)-2-phenylethyl]-3-(2-phenylethyl)thiourea?
1-[(2R)-2-(diethylamino)-2-phenylethyl]-3-(2-phenylethyl)thiourea has a molecular weight of 355.55 g/mol, XLogP of 3.78, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(diethylamino)-2-phenylethyl]-3-(2-phenylethyl)thiourea is sourced from PubChem (CID 8696752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).